(2R)-5,5-difluorohexan-2-amine

C6H13F2N — CID 156690161

IUPAC(2R)-5,5-difluorohexan-2-amine
SMILESC[C@@H](N)CCC(C)(F)F
InChIInChI=1S/C6H13F2N/c1-5(9)3-4-6(2,7)8/h5H,3-4,9H2,1-2H3/t5-/m1/s1
InChIKeyQOLPXWGKJSGRLV-RXMQYKEDSA-N
MW137.17 g/mol
LogP1.77
Rot. Bonds3

About (2R)-5,5-difluorohexan-2-amine

(2R)-5,5-difluorohexan-2-amine (PubChem CID 156690161) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is (2R)-5,5-difluorohexan-2-amine.

Molecular Properties

Compound Name(2R)-5,5-difluorohexan-2-amine
PubChem CID156690161
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC Name(2R)-5,5-difluorohexan-2-amine
SMILESC[C@@H](N)CCC(C)(F)F
InChIInChI=1S/C6H13F2N/c1-5(9)3-4-6(2,7)8/h5H,3-4,9H2,1-2H3/t5-/m1/s1
InChIKeyQOLPXWGKJSGRLV-RXMQYKEDSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-difluoro-2-methylheptan-3-amine
CID 126844363
(5R)-hexane-2,5-diamine
CID 144618459
ethane;5,5,7,7-tetramethyloctan-2-amine
CID 144514577
5-ethyl-2,2-difluorooctane
CID 144565046
2,2-difluoro-5-propan-2-yloctane
CID 175620292
(2R,7S)-5,5,7-trimethylnonan-2-amine
CID 138642965
6-amino-2-methylheptane-2-thiol
CID 21432614
5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine
CID 126844357
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
6,6-difluorooctadecan-2-amine
CID 174731685
[(5S)-5-amino-2-methylhexan-2-yl] carbamate
CID 174841923
11,11-difluorooctadecan-2-amine
CID 150665400

Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-difluorohexan-2-amine?
The IUPAC name of (2R)-5,5-difluorohexan-2-amine (CID 156690161) is (2R)-5,5-difluorohexan-2-amine.
What is the SMILES notation for (2R)-5,5-difluorohexan-2-amine?
The canonical SMILES for (2R)-5,5-difluorohexan-2-amine is C[C@@H](N)CCC(C)(F)F.
What is the InChIKey of (2R)-5,5-difluorohexan-2-amine?
The InChIKey is QOLPXWGKJSGRLV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13F2N/c1-5(9)3-4-6(2,7)8/h5H,3-4,9H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-5,5-difluorohexan-2-amine?
(2R)-5,5-difluorohexan-2-amine has a molecular weight of 137.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-difluorohexan-2-amine is sourced from PubChem (CID 156690161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).