[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine

C12H13F4N — CID 143403303

IUPAC[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
SMILESCC1(c2ccc(F)c(C(F)(F)F)c2)CC1CN
InChIInChI=1S/C12H13F4N/c1-11(5-8(11)6-17)7-2-3-10(13)9(4-7)12(14,15)16/h2-4,8H,5-6,17H2,1H3
InChIKeyVVKAFKARMXBISS-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.08
Rot. Bonds2

About [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine

[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine (PubChem CID 143403303) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
PubChem CID143403303
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
SMILESCC1(c2ccc(F)c(C(F)(F)F)c2)CC1CN
InChIInChI=1S/C12H13F4N/c1-11(5-8(11)6-17)7-2-3-10(13)9(4-7)12(14,15)16/h2-4,8H,5-6,17H2,1H3
InChIKeyVVKAFKARMXBISS-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
CID 62708708
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol
CID 107287447
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 107288032
4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287038
1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62704012
3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine
CID 107290823
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 104688068
(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 124570451
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol
CID 107287623
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
(4,4-dimethylcyclohexyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289028
4-(3-chloro-1-methylcyclopentyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 107290355

Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
The IUPAC name of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine (CID 143403303) is [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine.
What is the SMILES notation for [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
The canonical SMILES for [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine is CC1(c2ccc(F)c(C(F)(F)F)c2)CC1CN.
What is the InChIKey of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
The InChIKey is VVKAFKARMXBISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c1-11(5-8(11)6-17)7-2-3-10(13)9(4-7)12(14,15)16/h2-4,8H,5-6,17H2,1H3.
What are the key properties of [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine has a molecular weight of 247.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine is sourced from PubChem (CID 143403303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).