(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine

C5H7F6N — CID 171203128

IUPAC(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
SMILESN[C@H](CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6N/c6-4(7,8)2-1-3(12)5(9,10)11/h3H,1-2,12H2/t3-/m1/s1
InChIKeyWRRDCKHMWZWDPQ-GSVOUGTGSA-N
MW195.11 g/mol
LogP2.22
Rot. Bonds2

About (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine

(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine (PubChem CID 171203128) has the molecular formula C5H7F6N and a molecular weight of 195.11 g/mol. Its IUPAC name is (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine.

Molecular Properties

Compound Name(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
PubChem CID171203128
Molecular FormulaC5H7F6N
Molecular Weight195.11 g/mol
Exact Mass195.05
IUPAC Name(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
SMILESN[C@H](CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6N/c6-4(7,8)2-1-3(12)5(9,10)11/h3H,1-2,12H2/t3-/m1/s1
InChIKeyWRRDCKHMWZWDPQ-GSVOUGTGSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
CID 171222694
1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
1,1,1-trifluorohexan-2-amine
CID 50998628
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
CID 171203123
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
(2S,5R)-2,5-diamino-6,6,6-trifluorohexanoic acid
CID 39869181
6,6,6-trifluorohex-1-en-3-amine
CID 79954606
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
1-cyclopropyl-4,4,4-trifluorobutan-1-amine
CID 64565355
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine?
The IUPAC name of (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine (CID 171203128) is (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine.
What is the SMILES notation for (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine?
The canonical SMILES for (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine is N[C@H](CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine?
The InChIKey is WRRDCKHMWZWDPQ-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7F6N/c6-4(7,8)2-1-3(12)5(9,10)11/h3H,1-2,12H2/t3-/m1/s1.
What are the key properties of (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine?
(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine has a molecular weight of 195.11 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1,5,5,5-hexafluoropentan-2-amine is sourced from PubChem (CID 171203128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).