1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol

C14H18FNO — CID 117117554

IUPAC1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(F)cc2N2CCCC2)CC1
InChIInChI=1S/C14H18FNO/c15-12-4-3-11(10-14(17)5-6-14)13(9-12)16-7-1-2-8-16/h3-4,9,17H,1-2,5-8,10H2
InChIKeyWFMQFCHZGJGCMS-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.49
Rot. Bonds3

About 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol

1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117117554) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol
PubChem CID117117554
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(F)cc2N2CCCC2)CC1
InChIInChI=1S/C14H18FNO/c15-12-4-3-11(10-14(17)5-6-14)13(9-12)16-7-1-2-8-16/h3-4,9,17H,1-2,5-8,10H2
InChIKeyWFMQFCHZGJGCMS-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol (CID 117117554) is 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol is OC1(Cc2ccc(F)cc2N2CCCC2)CC1.
What is the InChIKey of 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is WFMQFCHZGJGCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-4-3-11(10-14(17)5-6-14)13(9-12)16-7-1-2-8-16/h3-4,9,17H,1-2,5-8,10H2.
What are the key properties of 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol?
1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 235.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117117554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).