4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol

C10H19FO — CID 123311590

IUPAC4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol
SMILESCC(CC1CC1F)C(C)(C)CO
InChIInChI=1S/C10H19FO/c1-7(10(2,3)6-12)4-8-5-9(8)11/h7-9,12H,4-6H2,1-3H3
InChIKeyOTIAZXRFYVTXSI-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.39
Rot. Bonds4

About 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol

4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol (PubChem CID 123311590) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol
PubChem CID123311590
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol
SMILESCC(CC1CC1F)C(C)(C)CO
InChIInChI=1S/C10H19FO/c1-7(10(2,3)6-12)4-8-5-9(8)11/h7-9,12H,4-6H2,1-3H3
InChIKeyOTIAZXRFYVTXSI-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3-trimethylpentane-1,5-diol
CID 57197180
2,2,3,6,6-pentamethylheptan-1-ol
CID 91591586
2,2-dimethylbutane-1,3-diol;methane
CID 158054850
1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
CID 158894957
(3S)-2,2-dimethylhex-5-ene-1,3-diol
CID 53235915
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
(E,4S,5R)-4,5-dichlorohex-2-en-1-ol
CID 25187324
1-(2-fluorocyclohexyl)propan-2-ol
CID 89165840
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
(3S)-2,2,4,4-tetramethylpentane-1,3-diol
CID 59590927
4-hydroxy-2,3,3-trimethylbutanamide
CID 55284516

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol?
The IUPAC name of 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol (CID 123311590) is 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol.
What is the SMILES notation for 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol?
The canonical SMILES for 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol is CC(CC1CC1F)C(C)(C)CO.
What is the InChIKey of 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol?
The InChIKey is OTIAZXRFYVTXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-7(10(2,3)6-12)4-8-5-9(8)11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol?
4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol has a molecular weight of 174.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol is sourced from PubChem (CID 123311590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).