[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine

C13H15F4NO — CID 107291977

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
SMILESCC1CC(C(N)c2ccc(F)c(C(F)(F)F)c2)CO1
InChIInChI=1S/C13H15F4NO/c1-7-4-9(6-19-7)12(18)8-2-3-11(14)10(5-8)13(15,16)17/h2-3,5,7,9,12H,4,6,18H2,1H3
InChIKeyZQEFMQJYXXMUFN-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.27
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine

[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine (PubChem CID 107291977) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
PubChem CID107291977
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
SMILESCC1CC(C(N)c2ccc(F)c(C(F)(F)F)c2)CO1
InChIInChI=1S/C13H15F4NO/c1-7-4-9(6-19-7)12(18)8-2-3-11(14)10(5-8)13(15,16)17/h2-3,5,7,9,12H,4,6,18H2,1H3
InChIKeyZQEFMQJYXXMUFN-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(4,4-dimethylcyclohexyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289028
(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758237
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
CID 107288498
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine
CID 104988595
[(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105305016
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]hydrazine
CID 107292329

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine (CID 107291977) is [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine is CC1CC(C(N)c2ccc(F)c(C(F)(F)F)c2)CO1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine?
The InChIKey is ZQEFMQJYXXMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-7-4-9(6-19-7)12(18)8-2-3-11(14)10(5-8)13(15,16)17/h2-3,5,7,9,12H,4,6,18H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine?
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine has a molecular weight of 277.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 107291977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).