(2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine

C10H16F3N — CID 144507272

IUPAC(2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC[C@H]1CC2CC1C[C@H]2NCC(F)(F)F
InChIInChI=1S/C10H16F3N/c1-6-2-8-3-7(6)4-9(8)14-5-10(11,12)13/h6-9,14H,2-5H2,1H3/t6-,7?,8?,9+/m0/s1
InChIKeyMQFKXDYLCAKFDQ-DFAZKQQPSA-N
MW207.24 g/mol
LogP2.57
Rot. Bonds2

About (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine

(2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 144507272) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID144507272
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC[C@H]1CC2CC1C[C@H]2NCC(F)(F)F
InChIInChI=1S/C10H16F3N/c1-6-2-8-3-7(6)4-9(8)14-5-10(11,12)13/h6-9,14H,2-5H2,1H3/t6-,7?,8?,9+/m0/s1
InChIKeyMQFKXDYLCAKFDQ-DFAZKQQPSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine (CID 144507272) is (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine is C[C@H]1CC2CC1C[C@H]2NCC(F)(F)F.
What is the InChIKey of (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is MQFKXDYLCAKFDQ-DFAZKQQPSA-N. The full InChI is InChI=1S/C10H16F3N/c1-6-2-8-3-7(6)4-9(8)14-5-10(11,12)13/h6-9,14H,2-5H2,1H3/t6-,7?,8?,9+/m0/s1.
What are the key properties of (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine?
(2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 207.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 144507272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).