N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine

C9H16F3N — CID 178010776

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine
SMILESCCCCNC(C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-3-6-13-8(7-4-5-7)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeySFUNOOSBEFJWFZ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds5

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine

N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 178010776) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine
PubChem CID178010776
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine
SMILESCCCCNC(C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-3-6-13-8(7-4-5-7)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeySFUNOOSBEFJWFZ-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-cyclopropyl-N-ethyl-2,2,2-trifluoroethanamine
CID 166734030
1-cyclohexyl-N-ethyl-2,2,2-trifluoroethanamine
CID 66205359
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
CID 64986880
[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane
CID 95170510
1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063170
N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine
CID 121208219
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115692645
N-butyl-1-cyclopentylbutan-1-amine
CID 173232536
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine (CID 178010776) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine is CCCCNC(C1CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is SFUNOOSBEFJWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-3-6-13-8(7-4-5-7)9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 178010776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).