deuterium monohydride;1-fluoro-4-propan-2-ylbenzene

C9H13F — CID 167565011

IUPACdeuterium monohydride;1-fluoro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1.[H][2H]
InChIInChI=1S/C9H11F.H2/c1-7(2)8-3-5-9(10)6-4-8;/h3-7H,1-2H3;1H/i;1+1
InChIKeyFDVFVJWDSZLPOQ-IEOVAKBOSA-N
MW141.21 g/mol
LogP3.20
Rot. Bonds1

About deuterium monohydride;1-fluoro-4-propan-2-ylbenzene

deuterium monohydride;1-fluoro-4-propan-2-ylbenzene (PubChem CID 167565011) has the molecular formula C9H13F and a molecular weight of 141.21 g/mol. Its IUPAC name is deuterium monohydride;1-fluoro-4-propan-2-ylbenzene.

Molecular Properties

Compound Namedeuterium monohydride;1-fluoro-4-propan-2-ylbenzene
PubChem CID167565011
Molecular FormulaC9H13F
Molecular Weight141.21 g/mol
Exact Mass141.11
IUPAC Namedeuterium monohydride;1-fluoro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1.[H][2H]
InChIInChI=1S/C9H11F.H2/c1-7(2)8-3-5-9(10)6-4-8;/h3-7H,1-2H3;1H/i;1+1
InChIKeyFDVFVJWDSZLPOQ-IEOVAKBOSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane
CID 157271017
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
cumene;1-fluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159517026
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
1,4-difluorobenzene bromide
CID 21301175
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
CID 159981381
ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene
CID 166104050
3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82092276

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;1-fluoro-4-propan-2-ylbenzene?
The IUPAC name of deuterium monohydride;1-fluoro-4-propan-2-ylbenzene (CID 167565011) is deuterium monohydride;1-fluoro-4-propan-2-ylbenzene.
What is the SMILES notation for deuterium monohydride;1-fluoro-4-propan-2-ylbenzene?
The canonical SMILES for deuterium monohydride;1-fluoro-4-propan-2-ylbenzene is CC(C)c1ccc(F)cc1.[H][2H].
What is the InChIKey of deuterium monohydride;1-fluoro-4-propan-2-ylbenzene?
The InChIKey is FDVFVJWDSZLPOQ-IEOVAKBOSA-N. The full InChI is InChI=1S/C9H11F.H2/c1-7(2)8-3-5-9(10)6-4-8;/h3-7H,1-2H3;1H/i;1+1.
What are the key properties of deuterium monohydride;1-fluoro-4-propan-2-ylbenzene?
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene has a molecular weight of 141.21 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;1-fluoro-4-propan-2-ylbenzene is sourced from PubChem (CID 167565011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).