1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C7H9F6N — CID 103312045

IUPAC1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c8-6(9,10)5(7(11,12)13)4(14)3-1-2-3/h3-5H,1-2,14H2
InChIKeyZLKOWFMNDSIUEV-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.46
Rot. Bonds2

About 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312045) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103312045
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c8-6(9,10)5(7(11,12)13)4(14)3-1-2-3/h3-5H,1-2,14H2
InChIKeyZLKOWFMNDSIUEV-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-(oxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
CID 103311932
(1-cyclopropyl-2,2,2-trifluoroethyl)cyclopropane
CID 139446319
(2R)-2-amino-2-cyclopropylethane-1,1-diol
CID 130242537
(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
CID 127264190
1-cyclopropyl-4,4,4-trifluorobutan-1-amine
CID 64565355
(2S)-2-amino-2-[4-(trifluoromethyl)cyclohexyl]acetonitrile
CID 166454783
(1R)-1-amino-1-cyclopropylpropan-2-ol
CID 68935616
1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 21252675
3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
CID 103312004
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312537
1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
CID 84737021
cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105187570

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103312045) is 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is NC(C1CC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is ZLKOWFMNDSIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N/c8-6(9,10)5(7(11,12)13)4(14)3-1-2-3/h3-5H,1-2,14H2.
What are the key properties of 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 221.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).