(3R)-1-(trifluoromethoxy)pentan-3-amine

C6H12F3NO — CID 169266071

IUPAC(3R)-1-(trifluoromethoxy)pentan-3-amine
SMILESCC[C@@H](N)CCOC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-5(10)3-4-11-6(7,8)9/h5H,2-4,10H2,1H3/t5-/m1/s1
InChIKeyVCAXCLFUSKBKLF-RXMQYKEDSA-N
MW171.16 g/mol
LogP1.65
Rot. Bonds4

About (3R)-1-(trifluoromethoxy)pentan-3-amine

(3R)-1-(trifluoromethoxy)pentan-3-amine (PubChem CID 169266071) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (3R)-1-(trifluoromethoxy)pentan-3-amine.

Molecular Properties

Compound Name(3R)-1-(trifluoromethoxy)pentan-3-amine
PubChem CID169266071
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(3R)-1-(trifluoromethoxy)pentan-3-amine
SMILESCC[C@@H](N)CCOC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-5(10)3-4-11-6(7,8)9/h5H,2-4,10H2,1H3/t5-/m1/s1
InChIKeyVCAXCLFUSKBKLF-RXMQYKEDSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(trifluoromethoxy)pentan-3-amine?
The IUPAC name of (3R)-1-(trifluoromethoxy)pentan-3-amine (CID 169266071) is (3R)-1-(trifluoromethoxy)pentan-3-amine.
What is the SMILES notation for (3R)-1-(trifluoromethoxy)pentan-3-amine?
The canonical SMILES for (3R)-1-(trifluoromethoxy)pentan-3-amine is CC[C@@H](N)CCOC(F)(F)F.
What is the InChIKey of (3R)-1-(trifluoromethoxy)pentan-3-amine?
The InChIKey is VCAXCLFUSKBKLF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-5(10)3-4-11-6(7,8)9/h5H,2-4,10H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-1-(trifluoromethoxy)pentan-3-amine?
(3R)-1-(trifluoromethoxy)pentan-3-amine has a molecular weight of 171.16 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(trifluoromethoxy)pentan-3-amine is sourced from PubChem (CID 169266071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).