N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine

C10H16F3N — CID 131020843

IUPACN-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine
SMILESCC(NC1C2CCCCC21)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-6(10(11,12)13)14-9-7-4-2-3-5-8(7)9/h6-9,14H,2-5H2,1H3
InChIKeyXDRIGHSOCOFHSD-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.72
Rot. Bonds2

About N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine

N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine (PubChem CID 131020843) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine
PubChem CID131020843
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine
SMILESCC(NC1C2CCCCC21)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-6(10(11,12)13)14-9-7-4-2-3-5-8(7)9/h6-9,14H,2-5H2,1H3
InChIKeyXDRIGHSOCOFHSD-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 130676467
3-fluoro-N-(1,1,1-trifluoropropan-2-yl)cyclopentan-1-amine
CID 130668515
N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
CID 130708891
3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile
CID 131106334
3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine
CID 130635598
trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676
N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2-fluoro-2-methylpropanamide
CID 130612782
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
CID 130694028
6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane
CID 162573535
N,8-dimethylbicyclo[4.2.0]octan-7-amine
CID 81422301

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine (CID 131020843) is N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine is CC(NC1C2CCCCC21)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
The InChIKey is XDRIGHSOCOFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-6(10(11,12)13)14-9-7-4-2-3-5-8(7)9/h6-9,14H,2-5H2,1H3.
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine has a molecular weight of 207.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 131020843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).