1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol

C14H18FNO3 — CID 107350527

IUPAC1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc(CCC(O)C2CCCC2)c1F
InChIInChI=1S/C14H18FNO3/c15-14-11(6-3-7-12(14)16(18)19)8-9-13(17)10-4-1-2-5-10/h3,6-7,10,13,17H,1-2,4-5,8-9H2
InChIKeyJIXHCYDLWHUBAM-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.22
Rot. Bonds5

About 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol

1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol (PubChem CID 107350527) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol
PubChem CID107350527
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc(CCC(O)C2CCCC2)c1F
InChIInChI=1S/C14H18FNO3/c15-14-11(6-3-7-12(14)16(18)19)8-9-13(17)10-4-1-2-5-10/h3,6-7,10,13,17H,1-2,4-5,8-9H2
InChIKeyJIXHCYDLWHUBAM-UHFFFAOYSA-N
XLogP3.22
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-3-cyclopropylpropyl)-2-fluoro-3-nitrobenzene
CID 107350564
1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
CID 107350060
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
1-cyclopropyl-3-(2,4-dinitrophenyl)propan-1-ol
CID 66223940
1-(3-chloro-3-phenylpropyl)-2-fluoro-3-nitrobenzene
CID 107350532
3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 107350213
(3S,4R)-1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidine-3,4-diol
CID 107350606
1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol
CID 63354561
1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
CID 107348718
2-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350116
cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
CID 107350375
1-(2-fluoro-3-nitrophenyl)-N,5-dimethylhexan-3-amine
CID 107350066

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol?
The IUPAC name of 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol (CID 107350527) is 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol?
The canonical SMILES for 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol is O=[N+]([O-])c1cccc(CCC(O)C2CCCC2)c1F.
What is the InChIKey of 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol?
The InChIKey is JIXHCYDLWHUBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-14-11(6-3-7-12(14)16(18)19)8-9-13(17)10-4-1-2-5-10/h3,6-7,10,13,17H,1-2,4-5,8-9H2.
What are the key properties of 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol?
1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol has a molecular weight of 267.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol is sourced from PubChem (CID 107350527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).