1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine

C9H14F3N — CID 62077875

IUPAC1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c10-9(11,12)8(13)7-5-3-1-2-4-6-7/h5,8H,1-4,6,13H2
InChIKeyUMWDVEDQIRRQTR-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.77
Rot. Bonds1

About 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine

1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine (PubChem CID 62077875) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine
PubChem CID62077875
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c10-9(11,12)8(13)7-5-3-1-2-4-6-7/h5,8H,1-4,6,13H2
InChIKeyUMWDVEDQIRRQTR-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
CID 22825120
5,5-Difluoro-3-hexylpent-2-ene-1,4-diamine
CID 54552133
3-(1,1-Difluoroethyl)cyclohex-2-en-1-amine
CID 68341272
4-(3,3,3-Trifluoropropylidene)cyclohexan-1-amine
CID 79879784
4-(Trifluoromethyl)cyclohex-3-en-1-amine
CID 83261881
(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine
CID 88697788
(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine
CID 88698954
2-(Trifluoromethyl)cyclohex-2-en-1-amine
CID 89074115
(1S)-1-(4-fluorocyclohexen-1-yl)ethanamine
CID 89952010
(1S)-1-[(4S)-4-fluorocyclohexen-1-yl]ethanamine
CID 89952014
(4,6-Difluorocyclohepten-1-yl)methanamine
CID 123839091
1-[4-(3,3-Difluorobutyl)-3-methylcyclopenta-1,3-dien-1-yl]ethanamine
CID 124095419

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine (CID 62077875) is 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine is NC(C1=CCCCCC1)C(F)(F)F.
What is the InChIKey of 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine?
The InChIKey is UMWDVEDQIRRQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)8(13)7-5-3-1-2-4-6-7/h5,8H,1-4,6,13H2.
What are the key properties of 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine?
1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine has a molecular weight of 193.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62077875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).