4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene

C14H19F — CID 142058001

IUPAC4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene
SMILESCCCc1cc([C@@H]2CC2(C)C)ccc1F
InChIInChI=1S/C14H19F/c1-4-5-11-8-10(6-7-13(11)15)12-9-14(12,2)3/h6-8,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyIHIRMMGPEPYHJT-LBPRGKRZSA-N
MW206.30 g/mol
LogP4.29
Rot. Bonds3

About 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene

4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene (PubChem CID 142058001) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene.

Molecular Properties

Compound Name4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene
PubChem CID142058001
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene
SMILESCCCc1cc([C@@H]2CC2(C)C)ccc1F
InChIInChI=1S/C14H19F/c1-4-5-11-8-10(6-7-13(11)15)12-9-14(12,2)3/h6-8,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyIHIRMMGPEPYHJT-LBPRGKRZSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene?
The IUPAC name of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene (CID 142058001) is 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene.
What is the SMILES notation for 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene?
The canonical SMILES for 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene is CCCc1cc([C@@H]2CC2(C)C)ccc1F.
What is the InChIKey of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene?
The InChIKey is IHIRMMGPEPYHJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F/c1-4-5-11-8-10(6-7-13(11)15)12-9-14(12,2)3/h6-8,12H,4-5,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene?
4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene has a molecular weight of 206.30 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-propylbenzene is sourced from PubChem (CID 142058001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).