4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine

C9H14FNO — CID 145312380

IUPAC4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
SMILESCC(C)OC1C=C(F)C=CC1N
InChIInChI=1S/C9H14FNO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,8-9H,11H2,1-2H3
InChIKeyDLIFXHAUFQWNEZ-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.53
Rot. Bonds2

About 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine

4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine (PubChem CID 145312380) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
PubChem CID145312380
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
SMILESCC(C)OC1C=C(F)C=CC1N
InChIInChI=1S/C9H14FNO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,8-9H,11H2,1-2H3
InChIKeyDLIFXHAUFQWNEZ-UHFFFAOYSA-N
XLogP1.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
6-Methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69301389
6-Methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 70201761
1-[4-(2,2-Difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 87688738
1-[4-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 87688747
6-Fluoro-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-amine
CID 117926838
6-Fluoro-6-methoxycyclohexa-2,4-dien-1-amine
CID 118514849
6-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 123991293
N-methyl-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 124032128
1-[(4R)-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 124095634
(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
CID 129313612
(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
CID 129313631

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine (CID 145312380) is 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine is CC(C)OC1C=C(F)C=CC1N.
What is the InChIKey of 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The InChIKey is DLIFXHAUFQWNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,8-9H,11H2,1-2H3.
What are the key properties of 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine?
4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine has a molecular weight of 171.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 145312380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).