(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine

C9H16F3N — CID 146373949

IUPAC(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine
SMILESC[C@@H](CCN)[C@@]1(C(F)(F)F)C[C@@H]1C
InChIInChI=1S/C9H16F3N/c1-6(3-4-13)8(5-7(8)2)9(10,11)12/h6-7H,3-5,13H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyYXCATIWNYTWNTC-FXQIFTODSA-N
MW195.23 g/mol
LogP2.56
Rot. Bonds3

About (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine

(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine (PubChem CID 146373949) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine.

Molecular Properties

Compound Name(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine
PubChem CID146373949
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine
SMILESC[C@@H](CCN)[C@@]1(C(F)(F)F)C[C@@H]1C
InChIInChI=1S/C9H16F3N/c1-6(3-4-13)8(5-7(8)2)9(10,11)12/h6-7H,3-5,13H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyYXCATIWNYTWNTC-FXQIFTODSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274072
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
3-(2-methylcyclopropyl)butan-1-amine
CID 90983194
1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol
CID 79125773
2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274078
4-aminobutan-2-ylboronic acid
CID 14026844
4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
CID 106213334
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine
CID 80544169
2,2-difluoro-3-methylbutan-1-amine
CID 22002026
3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine
CID 105436305
3-methyl-4-(3-methylaziridin-2-yl)butan-1-amine
CID 87594507

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine?
The IUPAC name of (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine (CID 146373949) is (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine.
What is the SMILES notation for (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine?
The canonical SMILES for (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine is C[C@@H](CCN)[C@@]1(C(F)(F)F)C[C@@H]1C.
What is the InChIKey of (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine?
The InChIKey is YXCATIWNYTWNTC-FXQIFTODSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(3-4-13)8(5-7(8)2)9(10,11)12/h6-7H,3-5,13H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine?
(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine is sourced from PubChem (CID 146373949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).