[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine

C11H11F4N — CID 75509980

IUPAC[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H11F4N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2,6,16H2
InChIKeyFYASVCXSUUUHOW-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.83
Rot. Bonds2

About [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine

[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 75509980) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID75509980
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H11F4N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2,6,16H2
InChIKeyFYASVCXSUUUHOW-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 83412581
[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117112227
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
1-cyclobutyl-2-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]guanidine
CID 122095523
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
1-cyclopropyl-3-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-methylguanidine
CID 122082045
(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide
CID 99826674
[1-(3-fluoro-5-propan-2-ylphenyl)cyclopentyl]methanamine
CID 84797654
1-fluoro-3-(1-isocyanatocyclopropyl)-5-(trifluoromethyl)benzene
CID 117112581
N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide
CID 166268545
[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine
CID 65017273

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine (CID 75509980) is [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine is NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is FYASVCXSUUUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2,6,16H2.
What are the key properties of [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 233.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 75509980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).