(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride

C6H9ClF7N — CID 171210343

IUPAC(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
SMILESCC[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C6H8F7N.ClH/c1-2-3(14)4(7,8)5(9,10)6(11,12)13;/h3H,2,14H2,1H3;1H/t3-;/m1./s1
InChIKeyBAYBDLHSOVJSGJ-AENDTGMFSA-N
MW263.58 g/mol
LogP2.98
Rot. Bonds3

About (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride

(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride (PubChem CID 171210343) has the molecular formula C6H9ClF7N and a molecular weight of 263.58 g/mol. Its IUPAC name is (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
PubChem CID171210343
Molecular FormulaC6H9ClF7N
Molecular Weight263.58 g/mol
Exact Mass263.03
IUPAC Name(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
SMILESCC[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C6H8F7N.ClH/c1-2-3(14)4(7,8)5(9,10)6(11,12)13;/h3H,2,14H2,1H3;1H/t3-;/m1./s1
InChIKeyBAYBDLHSOVJSGJ-AENDTGMFSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate
CID 171210387
(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
CID 96572524
(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine
CID 171210339
(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
CID 171229978
4-fluoro-4-methylhexan-3-amine
CID 167068220
1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
CID 151585042
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononane-3-thiol
CID 174993507
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
3,3,4,4,5,5,6,6,6-nonafluoro-1-nitrohexan-2-amine
CID 3858843
3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
CID 10575809
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689
1-fluoropropan-1-amine;hydrochloride
CID 173116737

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride?
The IUPAC name of (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride (CID 171210343) is (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride.
What is the SMILES notation for (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride?
The canonical SMILES for (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride is CC[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F.Cl.
What is the InChIKey of (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride?
The InChIKey is BAYBDLHSOVJSGJ-AENDTGMFSA-N. The full InChI is InChI=1S/C6H8F7N.ClH/c1-2-3(14)4(7,8)5(9,10)6(11,12)13;/h3H,2,14H2,1H3;1H/t3-;/m1./s1.
What are the key properties of (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride?
(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride has a molecular weight of 263.58 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride is sourced from PubChem (CID 171210343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).