1-amino-2-(3-fluorophenyl)hexan-3-ol

C12H18FNO — CID 65190033

IUPAC1-amino-2-(3-fluorophenyl)hexan-3-ol
SMILESCCCC(O)C(CN)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-2-4-12(15)11(8-14)9-5-3-6-10(13)7-9/h3,5-7,11-12,15H,2,4,8,14H2,1H3
InChIKeyPHXBNNSFGYXMBV-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.03
Rot. Bonds5

About 1-amino-2-(3-fluorophenyl)hexan-3-ol

1-amino-2-(3-fluorophenyl)hexan-3-ol (PubChem CID 65190033) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-amino-2-(3-fluorophenyl)hexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-fluorophenyl)hexan-3-ol
PubChem CID65190033
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-amino-2-(3-fluorophenyl)hexan-3-ol
SMILESCCCC(O)C(CN)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-2-4-12(15)11(8-14)9-5-3-6-10(13)7-9/h3,5-7,11-12,15H,2,4,8,14H2,1H3
InChIKeyPHXBNNSFGYXMBV-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114877285
4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
CID 65190596
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542
2-(3-fluorophenyl)-3-methylhexan-1-ol
CID 107894996
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-amino-2-(3,5-difluorophenyl)undecan-3-ol
CID 65427983
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-amino-2-(3-chlorophenyl)dodecan-3-ol
CID 65428170
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-fluorophenyl)hexan-3-ol?
The IUPAC name of 1-amino-2-(3-fluorophenyl)hexan-3-ol (CID 65190033) is 1-amino-2-(3-fluorophenyl)hexan-3-ol.
What is the SMILES notation for 1-amino-2-(3-fluorophenyl)hexan-3-ol?
The canonical SMILES for 1-amino-2-(3-fluorophenyl)hexan-3-ol is CCCC(O)C(CN)c1cccc(F)c1.
What is the InChIKey of 1-amino-2-(3-fluorophenyl)hexan-3-ol?
The InChIKey is PHXBNNSFGYXMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-4-12(15)11(8-14)9-5-3-6-10(13)7-9/h3,5-7,11-12,15H,2,4,8,14H2,1H3.
What are the key properties of 1-amino-2-(3-fluorophenyl)hexan-3-ol?
1-amino-2-(3-fluorophenyl)hexan-3-ol has a molecular weight of 211.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-fluorophenyl)hexan-3-ol is sourced from PubChem (CID 65190033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).