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

C12H11F6N — CID 83412581

IUPAC[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H11F6N/c13-11(14,15)8-3-7(10(6-19)1-2-10)4-9(5-8)12(16,17)18/h3-5H,1-2,6,19H2
InChIKeyKGXIEAXGQARWPP-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.71
Rot. Bonds2

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

[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 83412581) has the molecular formula C12H11F6N and a molecular weight of 283.22 g/mol. Its IUPAC name is [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID83412581
Molecular FormulaC12H11F6N
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H11F6N/c13-11(14,15)8-3-7(10(6-19)1-2-10)4-9(5-8)12(16,17)18/h3-5H,1-2,6,19H2
InChIKeyKGXIEAXGQARWPP-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 75509980
[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117112227
1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 83412159
[1-[3-(1,1-difluoro-2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 116992722
4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
CID 117333712
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
[1-[3-(1,1-difluoro-3-methylbutyl)phenyl]cyclopropyl]methanamine
CID 116993044
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
CID 62708708
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
3-(aminomethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 115050777

Frequently Asked Questions

What is the IUPAC name of [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine (CID 83412581) is [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine is NCC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is KGXIEAXGQARWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N/c13-11(14,15)8-3-7(10(6-19)1-2-10)4-9(5-8)12(16,17)18/h3-5H,1-2,6,19H2.
What are the key properties of [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine?
[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 283.22 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 83412581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).