2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine

C10H13F2NO — CID 162602443

IUPAC2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine
SMILESNC1CC1C1=CC=C(OC(F)F)CC1
InChIInChI=1S/C10H13F2NO/c11-10(12)14-7-3-1-6(2-4-7)8-5-9(8)13/h1,3,8-10H,2,4-5,13H2
InChIKeyRGMQQRVPRJRREX-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.18
Rot. Bonds3

About 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine

2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine (PubChem CID 162602443) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine
PubChem CID162602443
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine
SMILESNC1CC1C1=CC=C(OC(F)F)CC1
InChIInChI=1S/C10H13F2NO/c11-10(12)14-7-3-1-6(2-4-7)8-5-9(8)13/h1,3,8-10H,2,4-5,13H2
InChIKeyRGMQQRVPRJRREX-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine?
The IUPAC name of 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine (CID 162602443) is 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine.
What is the SMILES notation for 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine?
The canonical SMILES for 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine is NC1CC1C1=CC=C(OC(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine?
The InChIKey is RGMQQRVPRJRREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)14-7-3-1-6(2-4-7)8-5-9(8)13/h1,3,8-10H,2,4-5,13H2.
What are the key properties of 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine?
2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclopropan-1-amine is sourced from PubChem (CID 162602443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).