6-amino-2,2-difluoroheptane-3,5-diol

C7H15F2NO2 — CID 123167830

IUPAC6-amino-2,2-difluoroheptane-3,5-diol
SMILESCC(N)C(O)CC(O)C(C)(F)F
InChIInChI=1S/C7H15F2NO2/c1-4(10)5(11)3-6(12)7(2,8)9/h4-6,11-12H,3,10H2,1-2H3
InChIKeyVIQCFXBJKUYAPZ-UHFFFAOYSA-N
MW183.20 g/mol
LogP0.10
Rot. Bonds4

About 6-amino-2,2-difluoroheptane-3,5-diol

6-amino-2,2-difluoroheptane-3,5-diol (PubChem CID 123167830) has the molecular formula C7H15F2NO2 and a molecular weight of 183.20 g/mol. Its IUPAC name is 6-amino-2,2-difluoroheptane-3,5-diol.

Molecular Properties

Compound Name6-amino-2,2-difluoroheptane-3,5-diol
PubChem CID123167830
Molecular FormulaC7H15F2NO2
Molecular Weight183.20 g/mol
Exact Mass183.11
IUPAC Name6-amino-2,2-difluoroheptane-3,5-diol
SMILESCC(N)C(O)CC(O)C(C)(F)F
InChIInChI=1S/C7H15F2NO2/c1-4(10)5(11)3-6(12)7(2,8)9/h4-6,11-12H,3,10H2,1-2H3
InChIKeyVIQCFXBJKUYAPZ-UHFFFAOYSA-N
XLogP0.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S,5S)-5-aminohexane-2,4-diol
CID 88882738
(3S)-2-amino-18,18,18-trifluorooctadecane-3,5-diol
CID 121439292
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
(2R,3S)-3-amino-1-chlorobutan-2-ol
CID 154700575
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
CID 83921250
3,6-diamino-5-hydroxyheptanoic acid
CID 22042009
1,1,1-trifluoro-4,5,5-trimethylhexan-2-ol
CID 155261760
(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride
CID 171237157
1,1,1-trifluorobutane-2,3-diamine
CID 130988807
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
(2S,3S)-2-aminohexan-3-ol
CID 55285025

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2-difluoroheptane-3,5-diol?
The IUPAC name of 6-amino-2,2-difluoroheptane-3,5-diol (CID 123167830) is 6-amino-2,2-difluoroheptane-3,5-diol.
What is the SMILES notation for 6-amino-2,2-difluoroheptane-3,5-diol?
The canonical SMILES for 6-amino-2,2-difluoroheptane-3,5-diol is CC(N)C(O)CC(O)C(C)(F)F.
What is the InChIKey of 6-amino-2,2-difluoroheptane-3,5-diol?
The InChIKey is VIQCFXBJKUYAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2/c1-4(10)5(11)3-6(12)7(2,8)9/h4-6,11-12H,3,10H2,1-2H3.
What are the key properties of 6-amino-2,2-difluoroheptane-3,5-diol?
6-amino-2,2-difluoroheptane-3,5-diol has a molecular weight of 183.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2-difluoroheptane-3,5-diol is sourced from PubChem (CID 123167830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).