4-amino-4-(2,5-difluorophenyl)butan-1-ol

C10H13F2NO — CID 116861415

IUPAC4-amino-4-(2,5-difluorophenyl)butan-1-ol
SMILESNC(CCCO)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO/c11-7-3-4-9(12)8(6-7)10(13)2-1-5-14/h3-4,6,10,14H,1-2,5,13H2
InChIKeyOXKYOIYNMXIYOG-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.74
Rot. Bonds4

About 4-amino-4-(2,5-difluorophenyl)butan-1-ol

4-amino-4-(2,5-difluorophenyl)butan-1-ol (PubChem CID 116861415) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-amino-4-(2,5-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2,5-difluorophenyl)butan-1-ol
PubChem CID116861415
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-amino-4-(2,5-difluorophenyl)butan-1-ol
SMILESNC(CCCO)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO/c11-7-3-4-9(12)8(6-7)10(13)2-1-5-14/h3-4,6,10,14H,1-2,5,13H2
InChIKeyOXKYOIYNMXIYOG-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
3-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylpropan-1-ol
CID 107525347
4-chloro-4-(2,5-difluorophenyl)butan-1-ol
CID 82367002
2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol
CID 55265560
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
CID 107524370
(4S)-4-amino-4-(5-fluoro-2-nitrophenyl)butan-1-ol
CID 171225623
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
1-(2,5-difluorophenyl)pent-4-yn-1-amine
CID 63672748

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2,5-difluorophenyl)butan-1-ol?
The IUPAC name of 4-amino-4-(2,5-difluorophenyl)butan-1-ol (CID 116861415) is 4-amino-4-(2,5-difluorophenyl)butan-1-ol.
What is the SMILES notation for 4-amino-4-(2,5-difluorophenyl)butan-1-ol?
The canonical SMILES for 4-amino-4-(2,5-difluorophenyl)butan-1-ol is NC(CCCO)c1cc(F)ccc1F.
What is the InChIKey of 4-amino-4-(2,5-difluorophenyl)butan-1-ol?
The InChIKey is OXKYOIYNMXIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-7-3-4-9(12)8(6-7)10(13)2-1-5-14/h3-4,6,10,14H,1-2,5,13H2.
What are the key properties of 4-amino-4-(2,5-difluorophenyl)butan-1-ol?
4-amino-4-(2,5-difluorophenyl)butan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2,5-difluorophenyl)butan-1-ol is sourced from PubChem (CID 116861415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).