1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol

C12H15FO2 — CID 117300377

IUPAC1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
SMILESCOc1c(C(C)F)cccc1C1(O)CC1
InChIInChI=1S/C12H15FO2/c1-8(13)9-4-3-5-10(11(9)15-2)12(14)6-7-12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyKDYGZRODKNCKBM-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.71
Rot. Bonds3

About 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol

1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol (PubChem CID 117300377) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
PubChem CID117300377
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
SMILESCOc1c(C(C)F)cccc1C1(O)CC1
InChIInChI=1S/C12H15FO2/c1-8(13)9-4-3-5-10(11(9)15-2)12(14)6-7-12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyKDYGZRODKNCKBM-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117320065
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
CID 84691082
1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117322144
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(3-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117276386
3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride
CID 84707702
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
CID 117302785
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
CID 117325333

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol (CID 117300377) is 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol is COc1c(C(C)F)cccc1C1(O)CC1.
What is the InChIKey of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol?
The InChIKey is KDYGZRODKNCKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8(13)9-4-3-5-10(11(9)15-2)12(14)6-7-12/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol?
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol has a molecular weight of 210.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol is sourced from PubChem (CID 117300377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).