(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene

C10H17FO — CID 122448719

IUPAC(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
SMILESCC(C)OC1=CC[C@@H](F)[C@@H](C)C1
InChIInChI=1S/C10H17FO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4,7-8,10H,5-6H2,1-3H3/t8-,10+/m0/s1
InChIKeySUXDIPVYRMRMPW-WCBMZHEXSA-N
MW172.24 g/mol
LogP3.06
Rot. Bonds2

About (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene

(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene (PubChem CID 122448719) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene.

Molecular Properties

Compound Name(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
PubChem CID122448719
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
SMILESCC(C)OC1=CC[C@@H](F)[C@@H](C)C1
InChIInChI=1S/C10H17FO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4,7-8,10H,5-6H2,1-3H3/t8-,10+/m0/s1
InChIKeySUXDIPVYRMRMPW-WCBMZHEXSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene?
The IUPAC name of (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene (CID 122448719) is (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene.
What is the SMILES notation for (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene?
The canonical SMILES for (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene is CC(C)OC1=CC[C@@H](F)[C@@H](C)C1.
What is the InChIKey of (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene?
The InChIKey is SUXDIPVYRMRMPW-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17FO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4,7-8,10H,5-6H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene?
(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene has a molecular weight of 172.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene is sourced from PubChem (CID 122448719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).