(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone

C13H21FO — CID 131000783

IUPAC(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1CC(C)CC(C(=O)C2(C)CC2F)C1
InChIInChI=1S/C13H21FO/c1-8-4-9(2)6-10(5-8)12(15)13(3)7-11(13)14/h8-11H,4-7H2,1-3H3
InChIKeyTZEMYDXEYIQOQL-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.38
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone

(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 131000783) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID131000783
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1CC(C)CC(C(=O)C2(C)CC2F)C1
InChIInChI=1S/C13H21FO/c1-8-4-9(2)6-10(5-8)12(15)13(3)7-11(13)14/h8-11H,4-7H2,1-3H3
InChIKeyTZEMYDXEYIQOQL-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128
(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone
CID 116598551
1-(2-fluoro-1-methylcyclopropyl)prop-2-yn-1-one
CID 131123612
[1-(dimethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79067139
3-methylcyclobutane-1-carboxylic acid
CID 3044406
(2-fluoro-1-methylcyclopropyl)-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
CID 131000863
[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79069711
N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
CID 131134005
[4-(aminomethyl)oxan-4-yl]-(3,5-dimethylcyclohexyl)methanone
CID 116603187
1-(3,5-dimethylcyclohexyl)prop-2-en-1-one
CID 103453666
(3,5-dimethylcyclohexyl)-(thian-2-yl)methanone
CID 80622877
(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059527

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone (CID 131000783) is (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone is CC1CC(C)CC(C(=O)C2(C)CC2F)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is TZEMYDXEYIQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-8-4-9(2)6-10(5-8)12(15)13(3)7-11(13)14/h8-11H,4-7H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone?
(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 212.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 131000783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).