1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine

C13H21F4N — CID 114169083

IUPAC1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NCC(F)(F)C(F)F
InChIInChI=1S/C13H21F4N/c1-11(2)8-4-5-12(3,6-8)9(11)18-7-13(16,17)10(14)15/h8-10,18H,4-7H2,1-3H3
InChIKeyKKHILZVRIAOMIF-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.69
Rot. Bonds4

About 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 114169083) has the molecular formula C13H21F4N and a molecular weight of 267.31 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID114169083
Molecular FormulaC13H21F4N
Molecular Weight267.31 g/mol
Exact Mass267.16
IUPAC Name1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NCC(F)(F)C(F)F
InChIInChI=1S/C13H21F4N/c1-11(2)8-4-5-12(3,6-8)9(11)18-7-13(16,17)10(14)15/h8-10,18H,4-7H2,1-3H3
InChIKeyKKHILZVRIAOMIF-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 115400209
2-methyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
CID 65108207
2-methyl-1-methylsulfanyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 103829315
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
N-(2,4-dimethylpentyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114200148
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine
CID 66047372
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400223

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine (CID 114169083) is 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine is CC12CCC(C1)C(C)(C)C2NCC(F)(F)C(F)F.
What is the InChIKey of 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KKHILZVRIAOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4N/c1-11(2)8-4-5-12(3,6-8)9(11)18-7-13(16,17)10(14)15/h8-10,18H,4-7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 267.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114169083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).