(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran

C14H14F2O — CID 153410062

IUPAC(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
SMILESFc1ccc(C2=CO[C@H](C3CC3)CC2)c(F)c1
InChIInChI=1S/C14H14F2O/c15-11-4-5-12(13(16)7-11)10-3-6-14(17-8-10)9-1-2-9/h4-5,7-9,14H,1-3,6H2/t14-/m0/s1
InChIKeyAONHRGKJVXTTOG-AWEZNQCLSA-N
MW236.26 g/mol
LogP3.89
Rot. Bonds2

About (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran

(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran (PubChem CID 153410062) has the molecular formula C14H14F2O and a molecular weight of 236.26 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
PubChem CID153410062
Molecular FormulaC14H14F2O
Molecular Weight236.26 g/mol
Exact Mass236.10
IUPAC Name(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
SMILESFc1ccc(C2=CO[C@H](C3CC3)CC2)c(F)c1
InChIInChI=1S/C14H14F2O/c15-11-4-5-12(13(16)7-11)10-3-6-14(17-8-10)9-1-2-9/h4-5,7-9,14H,1-3,6H2/t14-/m0/s1
InChIKeyAONHRGKJVXTTOG-AWEZNQCLSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410075
[(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
2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 174959767
N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine
CID 175232836
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
2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
CID 114674627
(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
CID 153410094
5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66201888
6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81224165

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
The IUPAC name of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran (CID 153410062) is (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran is Fc1ccc(C2=CO[C@H](C3CC3)CC2)c(F)c1.
What is the InChIKey of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
The InChIKey is AONHRGKJVXTTOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14F2O/c15-11-4-5-12(13(16)7-11)10-3-6-14(17-8-10)9-1-2-9/h4-5,7-9,14H,1-3,6H2/t14-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran has a molecular weight of 236.26 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 153410062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).