(3R)-3-amino-1-fluoroheptan-2-ol

C7H16FNO — CID 122585066

IUPAC(3R)-3-amino-1-fluoroheptan-2-ol
SMILESCCCC[C@@H](N)C(O)CF
InChIInChI=1S/C7H16FNO/c1-2-3-4-6(9)7(10)5-8/h6-7,10H,2-5,9H2,1H3/t6-,7?/m1/s1
InChIKeyDZBAJUFSKGOFQB-ULUSZKPHSA-N
MW149.21 g/mol
LogP0.83
Rot. Bonds5

About (3R)-3-amino-1-fluoroheptan-2-ol

(3R)-3-amino-1-fluoroheptan-2-ol (PubChem CID 122585066) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is (3R)-3-amino-1-fluoroheptan-2-ol.

Molecular Properties

Compound Name(3R)-3-amino-1-fluoroheptan-2-ol
PubChem CID122585066
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name(3R)-3-amino-1-fluoroheptan-2-ol
SMILESCCCC[C@@H](N)C(O)CF
InChIInChI=1S/C7H16FNO/c1-2-3-4-6(9)7(10)5-8/h6-7,10H,2-5,9H2,1H3/t6-,7?/m1/s1
InChIKeyDZBAJUFSKGOFQB-ULUSZKPHSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diaminoheptan-2-ol
CID 23346836
13-aminoheptacosan-12-ol
CID 118194809
3-amino-1-fluoropentan-2-ol
CID 10772967
1-fluoro-3-methylheptan-2-ol
CID 122599053
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
3-amino-1,1,1-trifluoroheptan-2-ol
CID 22121539
(2S)-2-aminoheptane-1,1-diol
CID 166719915
10,18-diaminooctadecan-9-ol
CID 19842914
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
1-fluorohexan-2-ol
CID 11819078
3-aminooctan-2-ol
CID 14271184
3-aminononane-1,4-diol
CID 87704254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-fluoroheptan-2-ol?
The IUPAC name of (3R)-3-amino-1-fluoroheptan-2-ol (CID 122585066) is (3R)-3-amino-1-fluoroheptan-2-ol.
What is the SMILES notation for (3R)-3-amino-1-fluoroheptan-2-ol?
The canonical SMILES for (3R)-3-amino-1-fluoroheptan-2-ol is CCCC[C@@H](N)C(O)CF.
What is the InChIKey of (3R)-3-amino-1-fluoroheptan-2-ol?
The InChIKey is DZBAJUFSKGOFQB-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H16FNO/c1-2-3-4-6(9)7(10)5-8/h6-7,10H,2-5,9H2,1H3/t6-,7?/m1/s1.
What are the key properties of (3R)-3-amino-1-fluoroheptan-2-ol?
(3R)-3-amino-1-fluoroheptan-2-ol has a molecular weight of 149.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-fluoroheptan-2-ol is sourced from PubChem (CID 122585066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).