4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine

C12H19F2N — CID 71007853

IUPAC4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine
SMILESNC12CC3CC(CC(C(F)F)C(C3)C1)C2
InChIInChI=1S/C12H19F2N/c13-11(14)10-3-8-1-7-2-9(10)6-12(15,4-7)5-8/h7-11H,1-6,15H2
InChIKeySCMWQMPTRLHDNL-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.80
Rot. Bonds1

About 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine

4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine (PubChem CID 71007853) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine.

Molecular Properties

Compound Name4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine
PubChem CID71007853
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine
SMILESNC12CC3CC(CC(C(F)F)C(C3)C1)C2
InChIInChI=1S/C12H19F2N/c13-11(14)10-3-8-1-7-2-9(10)6-12(15,4-7)5-8/h7-11H,1-6,15H2
InChIKeySCMWQMPTRLHDNL-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine?
The IUPAC name of 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine (CID 71007853) is 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine.
What is the SMILES notation for 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine?
The canonical SMILES for 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine is NC12CC3CC(CC(C(F)F)C(C3)C1)C2.
What is the InChIKey of 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine?
The InChIKey is SCMWQMPTRLHDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c13-11(14)10-3-8-1-7-2-9(10)6-12(15,4-7)5-8/h7-11H,1-6,15H2.
What are the key properties of 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine?
4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine has a molecular weight of 215.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine is sourced from PubChem (CID 71007853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).