N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine

C14H14F5NO — CID 175232836

IUPACN-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine
SMILESFc1ccc(C2=COC(CNCC(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C14H14F5NO/c15-10-2-4-12(13(16)5-10)9-1-3-11(21-7-9)6-20-8-14(17,18)19/h2,4-5,7,11,20H,1,3,6,8H2
InChIKeyXQCOVNJRJRNKRP-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.64
Rot. Bonds4

About N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine

N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 175232836) has the molecular formula C14H14F5NO and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine
PubChem CID175232836
Molecular FormulaC14H14F5NO
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC NameN-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine
SMILESFc1ccc(C2=COC(CNCC(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C14H14F5NO/c15-10-2-4-12(13(16)5-10)9-1-3-11(21-7-9)6-20-8-14(17,18)19/h2,4-5,7,11,20H,1,3,6,8H2
InChIKeyXQCOVNJRJRNKRP-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

[(2R)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 175232862
[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 153410093
(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410062
(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410075
2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 174959767
(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
CID 153410094
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
3-(2,4-difluorophenyl)cyclohex-2-en-1-ol
CID 65177210
3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
CID 107383480
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline
CID 62066136
2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine
CID 83985097
[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
CID 98021505

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine (CID 175232836) is N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine is Fc1ccc(C2=COC(CNCC(F)(F)F)CC2)c(F)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is XQCOVNJRJRNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5NO/c15-10-2-4-12(13(16)5-10)9-1-3-11(21-7-9)6-20-8-14(17,18)19/h2,4-5,7,11,20H,1,3,6,8H2.
What are the key properties of N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine?
N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 307.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 175232836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).