(3R,4R)-4-fluoroazepan-3-ol

C6H12FNO — CID 118230290

IUPAC(3R,4R)-4-fluoroazepan-3-ol
SMILESO[C@@H]1CNCCC[C@H]1F
InChIInChI=1S/C6H12FNO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2/t5-,6-/m1/s1
InChIKeyITQAIPLTHRXFQD-PHDIDXHHSA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds

About (3R,4R)-4-fluoroazepan-3-ol

(3R,4R)-4-fluoroazepan-3-ol (PubChem CID 118230290) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3R,4R)-4-fluoroazepan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-fluoroazepan-3-ol
PubChem CID118230290
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3R,4R)-4-fluoroazepan-3-ol
SMILESO[C@@H]1CNCCC[C@H]1F
InChIInChI=1S/C6H12FNO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2/t5-,6-/m1/s1
InChIKeyITQAIPLTHRXFQD-PHDIDXHHSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodoazepan-3-ol
CID 118248122
trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
piperidin-3-ol;dihydrochloride
CID 67374500
trans-(1S,2S)-2-fluorocyclododecan-1-ol
CID 23237008
3-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83484906
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
1,5-diazocan-3-ol
CID 71359715
4-(trifluoromethyl)piperidin-3-ol
CID 82597852
ethane;piperidin-3-ol;pyrrolidine
CID 143998212
piperidin-3-ol;propane-2,2-diol
CID 142962358
oxalic acid;piperidin-3-ol
CID 162306197
4-aminopiperidin-3-ol
CID 54373786

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoroazepan-3-ol?
The IUPAC name of (3R,4R)-4-fluoroazepan-3-ol (CID 118230290) is (3R,4R)-4-fluoroazepan-3-ol.
What is the SMILES notation for (3R,4R)-4-fluoroazepan-3-ol?
The canonical SMILES for (3R,4R)-4-fluoroazepan-3-ol is O[C@@H]1CNCCC[C@H]1F.
What is the InChIKey of (3R,4R)-4-fluoroazepan-3-ol?
The InChIKey is ITQAIPLTHRXFQD-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-fluoroazepan-3-ol?
(3R,4R)-4-fluoroazepan-3-ol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoroazepan-3-ol is sourced from PubChem (CID 118230290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).