2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile

C11H10FNO — CID 14763608

IUPAC2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile
SMILESN#CC1CC1(F)OCc1ccccc1
InChIInChI=1S/C11H10FNO/c12-11(6-10(11)7-13)14-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2
InChIKeyBKFRURYNFKOXGJ-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.41
Rot. Bonds3

About 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile

2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile (PubChem CID 14763608) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile
PubChem CID14763608
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile
SMILESN#CC1CC1(F)OCc1ccccc1
InChIInChI=1S/C11H10FNO/c12-11(6-10(11)7-13)14-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2
InChIKeyBKFRURYNFKOXGJ-UHFFFAOYSA-N
XLogP2.41
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-phenylcyclopropane-1-carbonitrile
CID 102180676
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
benzyl 2-cyano-4,4-difluoropyrrolidine-1-carboxylate
CID 21098167
5-bromo-2,3,7-trihydroxy-1-(phenylmethoxyamino)-6-oxabicyclo[3.2.2]nonane-9-carbonitrile
CID 87280165
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
2,2-diphenoxycyclopropane-1-carbonitrile
CID 71364834
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 18924232
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
CID 6427547
2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile
CID 21316403
(3R,4R,5S,6R)-4,5-dihydroxy-6-phenylmethoxyoxane-3-carbonitrile
CID 12002844
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile?
The IUPAC name of 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile (CID 14763608) is 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile.
What is the SMILES notation for 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile?
The canonical SMILES for 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile is N#CC1CC1(F)OCc1ccccc1.
What is the InChIKey of 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile?
The InChIKey is BKFRURYNFKOXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-11(6-10(11)7-13)14-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2.
What are the key properties of 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile?
2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile has a molecular weight of 191.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile is sourced from PubChem (CID 14763608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).