1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol

C12H15FO — CID 117284693

IUPAC1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol
SMILESCc1ccc(C(C)F)cc1C1(O)CC1
InChIInChI=1S/C12H15FO/c1-8-3-4-10(9(2)13)7-11(8)12(14)5-6-12/h3-4,7,9,14H,5-6H2,1-2H3
InChIKeyFERAGEHHPXTTRR-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.01
Rot. Bonds2

About 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol

1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol (PubChem CID 117284693) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol
PubChem CID117284693
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol
SMILESCc1ccc(C(C)F)cc1C1(O)CC1
InChIInChI=1S/C12H15FO/c1-8-3-4-10(9(2)13)7-11(8)12(14)5-6-12/h3-4,7,9,14H,5-6H2,1-2H3
InChIKeyFERAGEHHPXTTRR-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol?
The IUPAC name of 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol (CID 117284693) is 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol is Cc1ccc(C(C)F)cc1C1(O)CC1.
What is the InChIKey of 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol?
The InChIKey is FERAGEHHPXTTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-3-4-10(9(2)13)7-11(8)12(14)5-6-12/h3-4,7,9,14H,5-6H2,1-2H3.
What are the key properties of 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol?
1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol has a molecular weight of 194.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol is sourced from PubChem (CID 117284693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).